N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride

C19H27Cl2N3OS — CID 67348450

IUPACN-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CS/C(=N\CC2CCCCC2)N1C.Cl
InChIInChI=1S/C19H26ClN3OS.ClH/c1-14(24)23(17-10-8-16(20)9-11-17)18-13-25-19(22(18)2)21-12-15-6-4-3-5-7-15;/h8-11,15,18H,3-7,12-13H2,1-2H3;1H/b21-19-;
InChIKeyCPQONIRSRAJQRO-WQGAEACMSA-N
MW416.42 g/mol
LogP5.06
Rot. Bonds4

About N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride

N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride (PubChem CID 67348450) has the molecular formula C19H27Cl2N3OS and a molecular weight of 416.42 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
PubChem CID67348450
Molecular FormulaC19H27Cl2N3OS
Molecular Weight416.42 g/mol
Exact Mass415.13
IUPAC NameN-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CS/C(=N\CC2CCCCC2)N1C.Cl
InChIInChI=1S/C19H26ClN3OS.ClH/c1-14(24)23(17-10-8-16(20)9-11-17)18-13-25-19(22(18)2)21-12-15-6-4-3-5-7-15;/h8-11,15,18H,3-7,12-13H2,1-2H3;1H/b21-19-;
InChIKeyCPQONIRSRAJQRO-WQGAEACMSA-N
XLogP5.06
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 67351312
N-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
CID 87366548
N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67348536
N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride
CID 67348276
N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348470
N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350350
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67346263
N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348328
N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67346290
N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride
CID 67348132
N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67349516
N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
CID 67348398

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride (CID 67348450) is N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride is CC(=O)N(c1ccc(Cl)cc1)C1CS/C(=N\CC2CCCCC2)N1C.Cl.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
The InChIKey is CPQONIRSRAJQRO-WQGAEACMSA-N. The full InChI is InChI=1S/C19H26ClN3OS.ClH/c1-14(24)23(17-10-8-16(20)9-11-17)18-13-25-19(22(18)2)21-12-15-6-4-3-5-7-15;/h8-11,15,18H,3-7,12-13H2,1-2H3;1H/b21-19-;.
What are the key properties of N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride has a molecular weight of 416.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 67348450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).